CID 21738762

Methyl 2-(3,6-dioxopiperazin-2-yl)acetate

Structural Information

Molecular Formula
C7H10N2O4
SMILES
COC(=O)CC1C(=O)NCC(=O)N1
InChI
InChI=1S/C7H10N2O4/c1-13-6(11)2-4-7(12)8-3-5(10)9-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10)
InChIKey
FNJRVMKCXNKPKH-UHFFFAOYSA-N
Compound name
methyl 2-(3,6-dioxopiperazin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

186.06406 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.071336 138.6
[M+Na]+ 209.053278 145.3
[M-H]- 185.056784 136.4
[M+NH4]+ 204.097883 154.1
[M+K]+ 225.027218 143.2
[M+H-H2O]+ 169.061320 132.1
[M+HCOO]- 231.062261 154.2
[M+CH3COO]- 245.077911 175.0
[M+Na-2H]- 207.038726 141.3
[M]+ 186.06351142 134.5
[M]- 186.06460858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe